UCSF

ZINC52543174

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.66 4.7 -32.16 2 4 1 38 289.484 12
Hi High (pH 8-9.5) 2.66 3.5 -2.49 1 4 0 34 288.476 12
Mid Mid (pH 6-8) 2.66 6.31 -105.18 3 4 2 40 290.492 12

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )